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{
"id": "jvasp-33932",
"created_at": "2022-09-04T14:38:34.119807Z",
"updated_at": "2022-09-04T14:38:34.119830Z",
"structure_string": "Te8 Mo6 S4\n1.0\n-1.890598 -2.874408 -0.000403\n6.435495 -6.292081 -0.050130\n-1.588067 3.101681 14.276068\nTe Mo S\n8 6 4\ndirect\n0.575763 0.234487 0.385964 Te\n0.175062 0.527403 0.877566 Te\n0.831029 0.446605 0.108617 Te\n0.080104 0.459784 0.620051 Te\n0.502305 0.886727 0.891382 Te\n0.253229 0.873549 0.379949 Te\n0.158271 0.805931 0.122433 Te\n0.757574 0.098846 0.614038 Te\n0.317993 0.606913 0.242851 Mo\n0.686618 0.372182 0.745450 Mo\n0.646715 0.961153 0.254550 Mo\n0.015341 0.726419 0.757149 Mo\n0.981541 0.286036 0.249080 Mo\n0.351794 0.047298 0.750921 Mo\n0.827778 0.194320 0.849910 S\n0.431274 0.791251 0.653865 S\n0.902060 0.542085 0.346138 S\n0.505558 0.139012 0.150089 S\n",
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{
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"updated_at": "2022-09-04T14:38:35.419312Z",
"structure_string": "Te7 Mo4 S1\n1.0\n1.576663 -3.146807 0.001048\n-0.012501 -0.001523 14.166668\n-5.444582 -2.727928 0.004573\nTe Mo S\n7 4 1\ndirect\n0.000002 0.630596 0.334132 Te\n0.499997 0.119328 0.166497 Te\n0.499998 0.377362 0.167731 Te\n0.000003 0.884941 0.333250 Te\n0.500002 0.622527 0.831449 Te\n0.999997 0.118716 0.669551 Te\n0.999998 0.377609 0.666330 Te\n0.999998 0.247933 0.334644 Mo\n0.500002 0.757056 0.154023 Mo\n0.499998 0.248797 0.833560 Mo\n0.000003 0.756682 0.677288 Mo\n0.500004 0.858453 0.831547 S\n",
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"spacegroup": 6
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{
"id": "jvasp-33968",
"created_at": "2022-09-04T14:38:10.287346Z",
"updated_at": "2022-09-04T14:38:10.287366Z",
"structure_string": "Te4 Mo4 S4\n1.0\n-1.515980 3.021197 -0.000208\n0.000475 -0.001834 -26.649167\n-1.858439 -2.823477 0.000106\nTe Mo S\n4 4 4\ndirect\n0.666658 0.316869 0.333228 Te\n0.333329 0.067122 0.666636 Te\n0.333341 0.683132 0.666766 Te\n0.666671 0.932878 0.333366 Te\n0.333323 0.388707 0.666557 Mo\n0.666663 0.138889 0.333287 Mo\n0.333337 0.861111 0.666714 Mo\n0.666676 0.611293 0.333437 Mo\n0.333331 0.194162 0.666609 S\n0.666657 0.443591 0.333220 S\n0.666669 0.805837 0.333392 S\n0.333343 0.556409 0.666774 S\n",
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"formula_full": "Te4 Mo4 S4",
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{
"id": "jvasp-33973",
"created_at": "2022-09-04T14:38:09.447487Z",
"updated_at": "2022-09-04T14:38:09.447516Z",
"structure_string": "Te7 Mo6 S5\n1.0\n3.404340 -0.199384 0.000521\n1.191360 -8.821063 -0.154167\n1.519645 -3.260226 -13.996571\nTe Mo S\n7 6 5\ndirect\n0.613190 0.875673 0.897893 Te\n0.726138 0.450258 0.097518 Te\n0.031324 0.314902 0.622468 Te\n0.938915 0.231687 0.890434 Te\n0.356506 0.673489 0.613538 Te\n0.978839 0.660997 0.381308 Te\n0.300573 0.018570 0.380252 Te\n0.873024 0.504548 0.749409 Mo\n0.794447 0.172562 0.238543 Mo\n0.207006 0.829015 0.756978 Mo\n0.128370 0.506567 0.236691 Mo\n0.542686 0.154673 0.759937 Mo\n0.457684 0.836793 0.247857 Mo\n0.289375 0.566148 0.855079 S\n0.683250 0.979608 0.653929 S\n0.384377 0.093879 0.137392 S\n0.042190 0.774999 0.140671 S\n0.652118 0.355627 0.340103 S\n",
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"formula_full": "Te7 Mo6 S5",
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{
"id": "jvasp-28694",
"created_at": "2022-09-04T14:38:10.541705Z",
"updated_at": "2022-09-04T14:38:10.541734Z",
"structure_string": "Te4 Mo4 S4\n1.0\n3.368881 0.000000 0.000000\n-1.684440 2.917535 -0.000086\n0.000000 -0.001028 36.943296\nTe Mo S\n4 4 4\ndirect\n0.333290 0.666581 0.327423 Te\n0.666711 0.333420 0.424035 Te\n0.666742 0.333483 0.526505 Te\n0.333258 0.666518 0.224953 Te\n0.333359 0.666717 0.095157 Mo\n0.333394 0.666786 0.475249 Mo\n0.666606 0.333215 0.276209 Mo\n0.666641 0.333284 0.656301 Mo\n0.333329 0.666659 0.697194 S\n0.666671 0.333342 0.054264 S\n0.666714 0.333426 0.136099 S\n0.333286 0.666575 0.615359 S\n",
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"volume": 363.10931027469945,
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"formula_full": "Te4 Mo4 S4",
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{
"id": "jvasp-105393",
"created_at": "2022-09-04T14:37:01.824114Z",
"updated_at": "2022-09-04T14:37:01.824126Z",
"structure_string": "Ta1 Mo1 S4\n1.0\n3.277370 0.000000 0.000000\n-0.000000 5.441311 1.649609\n-0.000000 0.063906 6.383501\nTa Mo S\n1 1 4\ndirect\n0.500000 0.664488 0.500425 Ta\n0.000000 0.167639 0.500000 Mo\n0.000000 0.409831 0.757405 S\n0.500000 0.918707 0.753800 S\n0.000000 0.583394 0.242133 S\n0.500000 0.089342 0.246035 S\n",
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"volume": 113.4926825133457,
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"formula_full": "Ta1 Mo1 S4",
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"spacegroup": 6
},
{
"id": "jvasp-110992",
"created_at": "2022-09-04T14:38:48.737041Z",
"updated_at": "2022-09-04T14:38:48.737069Z",
"structure_string": "Ta1 Mo1 S4\n1.0\n6.309651 -0.057474 0.950567\n5.487278 3.115249 0.950567\n0.000895 0.000232 5.685894\nTa Mo S\n1 1 4\ndirect\n0.750116 0.750118 0.085177 Ta\n0.250071 0.250071 0.582442 Mo\n0.378595 0.378596 0.210364 S\n0.876897 0.876899 0.703558 S\n0.622948 0.622950 0.788568 S\n0.121270 0.121270 0.296593 S\n",
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"spacegroup": 8
},
{
"id": "jvasp-105990",
"created_at": "2022-09-04T14:36:22.354498Z",
"updated_at": "2022-09-04T14:36:22.354522Z",
"structure_string": "Ta2 Mo1 S6\n1.0\n5.656142 0.000144 0.816453\n-3.005088 4.791803 0.816453\n0.037903 0.068512 6.405377\nTa Mo S\n2 1 6\ndirect\n0.833400 0.500027 0.499803 Ta\n0.500027 0.833400 0.499803 Ta\n0.166769 0.166769 0.499798 Mo\n0.580296 0.251676 0.245059 S\n0.251676 0.580296 0.245059 S\n0.923028 0.923028 0.245177 S\n0.753234 0.753234 0.755192 S\n0.409993 0.081470 0.755205 S\n0.081470 0.409994 0.755205 S\n",
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"formula_full": "Ta2 Mo1 S6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 8
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{
"id": "jvasp-87101",
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"updated_at": "2022-09-04T14:36:01.217722Z",
"structure_string": "Sr1 Mo6 S8\n1.0\n6.604880 -0.042952 0.101854\n0.166315 6.603058 0.105754\n0.024172 0.018570 6.605994\nSr Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.562898 0.417871 0.230213 Mo\n0.582125 0.769813 0.437082 Mo\n0.417875 0.230187 0.562916 Mo\n0.769794 0.437117 0.582100 Mo\n0.230207 0.562884 0.417898 Mo\n0.437103 0.582129 0.769785 Mo\n0.257345 0.875429 0.616708 S\n0.742656 0.124572 0.383291 S\n0.616671 0.257356 0.875423 S\n0.383330 0.742644 0.124575 S\n0.754655 0.754700 0.754583 S\n0.245346 0.245301 0.245415 S\n0.875452 0.616680 0.257323 S\n0.124548 0.383320 0.742675 S\n",
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{
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"created_at": "2022-09-04T14:38:32.125258Z",
"updated_at": "2022-09-04T14:38:32.125285Z",
"structure_string": "Sr1 Mo6 S8\n1.0\n6.604856 0.004857 0.120291\n0.118209 6.603801 0.120291\n0.004940 0.004857 6.605950\nSr Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.769797 0.582108 0.437103 Mo\n0.437104 0.769797 0.582107 Mo\n0.582108 0.437104 0.769796 Mo\n0.417893 0.562897 0.230203 Mo\n0.562897 0.230204 0.417892 Mo\n0.230204 0.417893 0.562896 Mo\n0.754641 0.754641 0.754640 S\n0.875422 0.257346 0.616709 S\n0.257346 0.616710 0.875421 S\n0.616710 0.875422 0.257346 S\n0.124579 0.742655 0.383291 S\n0.742655 0.383291 0.124579 S\n0.245360 0.245360 0.245360 S\n0.383291 0.124579 0.742654 S\n",
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"formula_full": "Sr1 Mo6 S8",
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{
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"created_at": "2022-09-04T14:37:32.354782Z",
"updated_at": "2022-09-04T14:37:32.354808Z",
"structure_string": "Sn1 Mo6 S8\n1.0\n6.570381 0.014807 0.049027\n0.048773 6.570216 0.049027\n0.014884 0.014808 6.570546\nSn Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sn\n0.227277 0.416791 0.561442 Mo\n0.583208 0.438559 0.772724 Mo\n0.438558 0.772724 0.583210 Mo\n0.561441 0.227278 0.416791 Mo\n0.416790 0.561442 0.227278 Mo\n0.772722 0.583210 0.438559 Mo\n0.758388 0.758390 0.758390 S\n0.874546 0.257079 0.620373 S\n0.257077 0.620372 0.874548 S\n0.620371 0.874548 0.257079 S\n0.125452 0.742923 0.379629 S\n0.742922 0.379629 0.125454 S\n0.241611 0.241611 0.241611 S\n0.379628 0.125453 0.742923 S\n",
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"spacegroup": 148
},
{
"id": "jvasp-37273",
"created_at": "2022-09-04T14:37:57.310147Z",
"updated_at": "2022-09-04T14:37:57.310167Z",
"structure_string": "Sm1 Mo6 S8\n1.0\n4.564402 -2.635258 -3.829224\n-0.000000 5.270518 -3.829224\n4.564402 2.635259 3.829224\nSm Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.438201 0.579675 0.225620 Mo\n0.774380 0.438201 0.420324 Mo\n0.420323 0.225619 0.438202 Mo\n0.579675 0.774380 0.561798 Mo\n0.225619 0.561798 0.579675 Mo\n0.561799 0.420325 0.774381 Mo\n0.628513 0.246860 0.125965 S\n0.759127 0.759127 0.240872 S\n0.125964 0.371486 0.246860 S\n0.246860 0.874036 0.371486 S\n0.753140 0.125964 0.628514 S\n0.874034 0.628514 0.753140 S\n0.240873 0.240872 0.759127 S\n0.371486 0.753140 0.874036 S\n",
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"elements": [
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],
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"density": 5.903659616012946,
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"volume": 276.35618410156223,
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"formula_full": "Sm1 Mo6 S8",
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"formula_anonymous": "AB6C8",
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}
]
}